4-[2-azanyl-4-(4-chlorophenyl)-7-oxidanylidene-5H-pyrrolo[3,4-d]pyrimidin-6-yl]butanoic acid

Systemtic Name: 4-[2-azanyl-4-(4-chlorophenyl)-7-oxidanylidene-5H-pyrrolo[3,4-d]pyrimidin-6-yl]butanoic acid Openeye Name: 4-[2-amino-4-(4-chlorophenyl)-7-oxo-5H-pyrrolo[3,4-d]pyrimidin-6-yl]butanoic acid CAS Name: 4-[2-amino-4-(4-chlorophenyl)-7-oxo-5H-pyrrolo[3,4-d]pyrimidin-6-yl]butanoic acid IUPAC Name: 4-[2-amino-4-(4-chlorophenyl)-7-oxo-5H-pyrrolo[3,4-d]pyrimidin-6-yl]butanoic acid Traditional Name: 4-[2-amino-4-(4-chlorophenyl)-7-keto-5H-pyrrolo[3,4-d]pyrimidin-6-yl]butyric acid Formula: C16H15ClN4O3 MolecularWeight: 346.7683

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(N=C(N=C2C(=O)N1CCCC(=O)O)N)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1C2=C(N=C(N=C2C(=O)N1CCCC(=O)O)N)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C16H15ClN4O3/c17-10-5-3-9(4-6-10)13-11-8-21(7-1-2-12(22)23)15(24)14(11)20-16(18)19-13/h3-6H,1-2,7-8H2,(H,22,23)(H2,18,19,20)